QUADRONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O3
Molecular Weight	248.3175
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of QUADRONE

Structure Search

SMILES

[H][C@]12COC(=O)[C@]3([H])CC[C@]4([H])[C@@]([H])(CC1=O)[C@]23CC4(C)C

InChI

InChIKey=BBIDMUQZCCGABN-DWJWARBKSA-N

InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O3
Molecular Weight	248.3175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:12 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:12 GMT 2023`
Record UNII	T216NQ191Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QUADRONE

Common Name

English

QUADRONE [MI]

Common Name

English

(-)-QUADRONE

Common Name

English

6,8B-ETHANO-8BH-CYCLOPENTA(DE)-2-BENZOPYRAN-1,4-DIONE, OCTAHYDRO-10,10-DIMETHYL-, (3AS-(3A.ALPHA.,5A.BETA.,6.ALPHA.,8A.ALPHA.,8B.ALPHA.))-

Systematic Name

English

QUADRONE, (-)-

Common Name

English

6,8B-ETHANO-8BH-CYCLOPENTA(DE)-2-BENZOPYRAN-1,4-DIONE, OCTAHYDRO-10,10-DIMETHYL-, (3AS,5AR,6R,8AR,8BR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T216NQ191Q

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

PRIMARY

MERCK INDEX

m9409

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

PRIMARY

Merck Index

PUBCHEM

13892741

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

PRIMARY

CAS

87480-01-1

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

ALTERNATIVE

EPA CompTox

DTXSID30985154

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

PRIMARY

CAS

66550-08-1

Created by admin on Sat Dec 16 08:01:12 GMT 2023 , Edited by admin on Sat Dec 16 08:01:12 GMT 2023

PRIMARY

Related Record Type Details


					498881H35R

QUADRONE, (±)-

RACEMATE -> ENANTIOMER